This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.
Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.
1yon
From Proteopedia
|
Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate
Overview
The crystal structure of Escherichia coli ketopantoate reductase in, complex with 2'-monophosphoadenosine 5'-diphosphoribose, a fragment of, NADP+ that lacks the nicotinamide ring, is reported. The ligand is bound, at the enzyme active site in the opposite orientation to that observed for, NADP+, with the adenine ring occupying the lipophilic nicotinamide pocket., Isothermal titration calorimetry with R31A and N98A mutants of the enzyme, is used to show that the unusual ;reversed binding mode' observed in the, crystal is triggered by changes in the protonation of binding groups at, low pH. This research has important implications for fragment-based, approaches to drug design, namely that the crystallization conditions and, the chemical modification of ligands can have unexpected effects on the, binding modes.
About this Structure
1YON is a Single protein structure of sequence from Escherichia coli with APX as ligand. Active as 2-dehydropantoate 2-reductase, with EC number 1.1.1.169 Full crystallographic information is available from OCA.
Reference
pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study., Ciulli A, Lobley CM, Tuck KL, Smith AG, Blundell TL, Abell C, Acta Crystallogr D Biol Crystallogr. 2007 Feb;63(Pt 2):171-8. Epub 2007, Jan 16. PMID:17242510
Page seeded by OCA on Wed Nov 21 06:57:04 2007
Categories: 2-dehydropantoate 2-reductase | Escherichia coli | Single protein | Abell, C. | Blundell, T.L. | Ciulli, A. | Lobley, C.M.C. | Smith, A.G. | Tuck, K.L. | Williams, G. | APX | 2'-monophosphoadenosine-5'-diphosphate | Ketopantoate | Nadp+ dependent | Pantothenate pathway | Secondary alcohol dehydrogenase
